Non-self-consistent kinetic energy

Density Hartree-Fock
Basis Slater-type functions
Integration grid Double exponential
Fractional occupation Yes
Units Hartree atomic units

Configuration

\(1s^2 2s^2 2p^6 3s^2 3p^6 4s^2 3d^{10} 4p^6 5s^2 4d^{10} 5p^6 6s^2 4f^{12}\)

Kinetic Energy

Functional Spin-polarized Spin-unpolarized
ref 12498.1525874360 12498.1525874360
TsKS 12498.1530156633 12498.1530156633
TF 11880.8502655657 11880.1757416991
W 4685.87532210316 4685.77912324885
GEA2 12401.5030791328 12400.8178665046
GEA4 12485.9365470579 12485.2481589712
TFW 16566.7255876689 16565.9548649480
TF5W 12818.0253299864 12817.3315663489
P82 12379.3127521148 12378.6372165888
DK87 12466.6110741271 12465.9271436570
LLP 12494.4894076683 12493.8098404237
OL1 12482.0770993726 12481.3911100691
OL2 12485.2179058205 12484.5288697372
P92 12402.5086984338 12401.8234657651
T92 12398.8123699453 12398.1427960155
LC94 12491.5608189467 12490.8800175643
LP97 13506.9830781201 13506.2162321244
VJKS00 12407.8991536694 12407.2295050658
E00 12430.3159653155 12429.6267997925
TW02 12481.7416078793 12481.0600226173
PBE2 17114.7329963954 17113.9997160079
PBE4 13105.9852932933 13105.3706136478
MGGA 12506.9362175176 12506.2478620964
GDS08 4792.89297473131 4792.78562004857
RDA 11354.5262318404 11354.5536134117
APBEK 12495.9964646615 12495.3150832982
revAPBEK 12514.7092016748 12514.0257219025
VT84F 15874.8708045128 15874.1152148246
L04 12475.8704039524 12475.1809499943
L06 12475.7019783014 12475.0133116048
revMGGA 12931.2382284555 12930.5530146174
revMGGAloc 12257.4232205768 12256.7645676348
TFLreg 12349.1497028942 12348.4751790026
LGAPGE 12514.3242406865 12513.6355739970
LGAP 12492.1407769582 12491.4553546007
MVT84F 10652.0237347789 10651.8147710087

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To the best of our knowledge, the information contained herein is accurate and reliable as of the date of publication; however, we do not assume any liability whatsoever for the accuracy and completeness of the above information.